mmand will draw a box around the map, showing you how it
doesn't cover the PDB file. Either you need a model which covers the
map, or a map which covers the model.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Principal Scientist
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Voice (650
> First up: Is there any way to tell PyMol *not* to change its view when
> loading a
> PDB file
set auto_zoom,0
> Secondly: Below is an example of a small hack I have written when
making
> one
> particular movie. This one overlays two molecules related by a 2-fold
> axis by
> doing a simple rota
ailing list), a
copy of the problematic PNG file.
Thanks,
Warren
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Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mai
unpickling them in a Python interpreter.
Cheers,
Warren
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Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol
sion of PyMOL, since _cmd isn't meant to be called by anyone
except PyMOL.
Cheers,
Warren
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Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-us
Thomas,
I tried running your script on the current development version
and on a version 0.90 binary, and wasn't able to get PyMOL to crash.
How is PyMOL installed on your system?
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Prin
visual artifacts will occur with
standard OpenGL rendering.
If you're on a PC, then you'll need to wait for the next big
release, which will probably happen next week.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific
tely understand your
question.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
>
rs,
Warren
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Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Behalf Of
Uwe,
> We plan a research project where we want to stepwise incorporate
D-amino
> acids into a peptide. To determine the exchanges it would be very
useful
> if
> PyMol could assist.
> If I might dream I would like to have D-amino acids (and maybe other
un-
> usual amino acids) available in the mut
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> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Behalf Of Dirk
/local/bin, or $HOME/bin
By the way, this version of PyMOL can also work well on the mac as a PDB
helper application with Netscape or IE. (For IE, type=TEXT
creator=PyML)
Cheers,
Warren
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Voice
Raji,
Sorry, PyMOL can't do that yet. However, since you are probably
the 10th person to ask for this, so it has become high priority for a
future version...
Cheers,
Warren
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r own menu, which then creates it's own window in response to user
requests.
Cheers,
Warren
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Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From
o account. I'm no Mac-addict, but I do like to
recognize and celebrate a good product when I see one. The dual 2 Ghz
G5 running Mac OS X is a "killer" desktop computer for research --
Apple's first in a long time, and hopefully more will come if we
appropriately reward this one with our business.
Cheers,
Warren
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Yes, but you need to write in Python directly. For example:
from pymol import cmd
cmd.select("mysel","none")
for i in range(10,20): cmd.select("mysel","mysel or resi %d"%i)
Would work in a ".py" file.
Cheers,
Warren
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> I have a Mac TI powerbook running OSX. Every time I launch a new
> terminal window, pymol launches. For example, if I open 3 terminal
> windows, 3 pymol sessions also start. How do I stop this?
What? You don't want PyMOL to launch every possible opportunity?
Actually, I've encountered this
roach.
Cheers,
Warren
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourc
Tina,
"layer0/MemoryCache.c" is missing from the list of sources in
the setup.py file. If you add that in right after the
"layer0/MemoryDebug.c", it should build.
Sorry about that!
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Princi
Thanks for your code!
> P.S. I wish this mailing list had archives ...
But it does!
http://sourceforge.net/mailarchive/forum.php?forum_id=60
You can search by keyword. Look for the text box upper-left.
Cheers,
Warren
Jan,
Thanks for that -- copy hereby sent to the PyMOL list. This is
a relief. I was wondering why strange bounced email was coming back and
had become concerned that infection had occurred here despite every
precaution.
SMTP-based email is indeed a hopeless cause. I vote fo
mes differ slightly.
Are you finding otherwise?
Cheers,
Warren
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> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [ma
Jose,
Select the bond using Ctrl-right-click, then either "unbond
pk1,pk2" or hit Ctrl-D.
Cheers,
Warren
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> -Ori
Tina,
That would be very difficult to do at present...I'll take this
as a suggestion for a future version.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
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Voice (650)-346-1154
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> -
If I understand the question correctly, the answer is
disable ramp-name
Cheers,
Warren
> Hello:
>
> Is there anyway to remove the colour ramp from an electrostatic
potential
> figure via a script (help hide doesn't list anything reasonable for
this
> and there is nothing that I can see in the s
ersions of PyMOL should not suffer from this problem.
alter all.type='ATOM'
alter name P,name='P1'
sort
Thanks for your help in quashing that bug!
Cheers,
Warren
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Warren L. DeLano, Ph.D.
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Voice (
David,
The problem: PyMOL sorts PDB hetatms apart from molecules. The
solution:
alter all, type=ATOM
sort
rebuild
Im thinking about disabling this behavior before the next release
Cheers,
Warren
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Warren L. DeLano, Ph.D.
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DeLano
David,
The problem: PyMOL sorts PDB hetatms apart from molecules. The
solution:
alter all, type='ATOM'
sort
rebuild
I'm thinking about disabling this behavior before the next release.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Principal S
;elems CHNOS*" represent? I'd really appreciate more
> comprehensive documentation.
>
That's just the coloring for Carbon, Hydrogen, Nitrogen, Oxygen, Sulfur,
in the color pop-up menu.
Cheers,
Warren
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or 4.
Prior behavior can be restored by changing two settings
(ray_oversample_cutoff->0 and antialias->0 or 2).
If you have strong objections to these changes, please speak up.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
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need higher-quality images with a higher resolution, then provide
an explicit width and height to ray:
set antialias,1
ray 2000,1500,angle=-3
png image1.png
ray 2000,1500,angle=3
png image2.png
Cheers,
Warren
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Richard,
"layer0/MemoryCache.c", needs to be added to the source list in
setup.py. Sorry for the inconvenience...
Cheers,
Warren
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Milton,
To get a complete list of commands, hit TAB on a blank command
line.
My apologies that PyMOL isn't more obvious, but thanks for the
reminder -- I'm working on making life easier!
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Gareth,
cmd.identify returns the input indexing, which will correspond
to the PDB file.
cmd.index returns the internal indexing, which will correspond
to cmd.get_model
help identify
help index
Cheers,
Warren
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Warren L. DeLano, Ph.D
Gareth,
CGO is currently the way to go...
Cheers,
Warren
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourcefor
.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforg
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Behalf Of Dr. Dan
the beginning of the animation.
Cheers,
Warren
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> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users
oblem.
Thanks,
Warren
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Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.
war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Dennis
Wolan
Sent: Tuesday, July 15, 2003 10
epresents the official
(but not infallible) doctrine.
Cheers,
Warren
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> -Original Message-
> From: pymol-users-ad...
pend((x,y,z))")
result_list.append((
((stored.qry_info), (stored.qry_xyz)),
map(None,stored.nbr_info, stored.nbr_xyz)))
# the rest of the task is just pure Python math, using the
# values stored in result_list.
for a in result_list:
print "Query:",a[0]
if len(a
nder CVS.
Cheers,
Warren
PS. Today I also added support for InsightII's ascii/formatted grid file
(just in case anyone has some old Biosym GRD files lying around...).
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Voice (650)-346-1154
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pick" first to
make sure no atom is currently picked).
hide ribbon
I'll see what we can do about this in the future...
Cheers,
Warren
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Voice (650)-346-1154
Fax (650)-593-4020
future version...)
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Be
Felix,
> I've read over the manual, and I think I understand the principle
behind a
> CGO. What I would like to do is generate a wall-&-floor type
background
> for an animation I'm putting together. I've followed the example
given by
> David Cooper
(http://ginsberg.med.virginia.edu/~dcoop/Help/
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Warren L. DeLano, Ph.D.
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Jason,
In version 0.90, there is a ribbon_trace setting which allows
you to do this for the ribbon representation. In versions 0.91+, I've
added the same thing for cartoons "cartoon_trace".
Cheers,
Warren
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Warren L. DeLano,
65x65 for testing
purposes? Please include the associated PDB file for visual
verification. Thanks!
Looks like we'll need to push out another release sooner rather than
later...
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Principal Scientist
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with
any effective way of doing it without risking a floating exception on
finicky hardware.
Any ideas? If we can just determine the "enddian-ness" of the incoming
file, then the rest is a snap.
Warren
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Principal S
John,
The "native" OSX port is incomplete with respect to the user
interface. You can get the complete package if you use the Fink version
under X11.
PyMOL doesn't export 3D data well at present.
Cheers,
Warren
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Warren
> 1- calculation of surface potentials- will this be coming soon?
Creation of a Possion-Boltzman solver is a bit of work, so this will not
happen very soon -- probably not until we accumulate enough sponsorship
to contract with someone to perform the task. But perhaps someone might
volunteer to w
> I just download PYMOL into my Linux and it's working very nicely but I
> want to check
> whether it is possible to move a pdb file within a 3D density map
> independently to get a
> best fitting.
Yes, you can move the molecule, but not the map.
First, get into editing mode:
edit_mode
(or se
odules directory.
I hope this helps.
Cheers,
Warren
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Voice (650)-346-1154
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> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net
1 or 2.
For hardware or cross-eye,
set stereo_shift, 4
For walleye,
set stereo_angle, 1.95
set stereo_shift, 4
Cheers,
Warren
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Voice (650)-346-1154
Fax
To define a new color, use the set_color command:
set_color my_color,[0.5,0.5,1.0]
color my_color, all
Cheers,
Warren
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Fax (650)-593-4020
> -Original Message-
e 0.90 Fink update in order to
get menus...
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Sorry Ulrich,
The file got left off verson 0.88 - will be in 0.90, which
will be released this week.
Cheers,
Warren
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-Original
Tsjerk,
Not currently. The closest you can achieve is to write out the
PDB file, delete the object, and then read it back in.
- Warren
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David,
Try turning off "roving_origin"
set roving_origin,0
Also, I think the zooming only happens in orthoscopic mode -- I may be
able to get rid of that side-effect.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Principal Scientist
DeLano
That's likely the problem.
If you need to reduce RAM consumption during raytracing (at the cost of
performance), try reducing hash_max to 80 or 60.
set hash_max,60
Cheers,
Warren
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Voice
:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Behalf Of Cameron M
Whoops - I meant to delete that message, must have spaced out and hit
the accept button. Sorry for (accidentally) propagating spam.
DeLano Scientific does not endorse "Chief Mgbe" or his ilk...these are
all scams. Any email with the words "Nigeria" "bank" and "million"
should be moved straight
Cheers,
Warren
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> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] O
Scott,
Currently they are hard-coded in the C, but can be changed after
loading the molecule using:
alter selection, vdw=number
for example:
alter elem c, vdw=1.8
alter elem n, vdw=1.4
alter elem h, vdw=1.1
etc.
Cheers,
Warren
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Warren L. DeLano
Jason,
The command
zoom complete=1
Will guarantee that no parts of the molecule get clipped
Cheers,
Warren
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
>
Kaushik,
set auto_color,off
before opening the first file.
or
util.cbag
afterwards.
Cheers,
Warren
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Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Mess
p was a success. Not a Home Run, but a solid Double!
PPS. Luca, if you have a ".pml" file which can reproduce your session
save problem, please email it to me -- Thanks.
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Voice (650)-346-1
ow, non-Windows platforms are unaffected by the 0.88 bug, but
I'll issue another release soon just in case.
"pymol-0_89-bin-win32.zip" is the file you want:
http://sourceforge.net/project/showfiles.php?group_id=4546
Cheers,
Warren
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Warren L. DeL
PyMOLers,
I am hitting the road to pay a PyMOL-focused visit to one of the world's
top pharmaceutical companies. Let's hope they like what they see!
DeLano Scientific support will be back online as of Thursday, June 12th.
Cheers,
Warren
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Warren
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
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Voice (650)-346-1154
Fax (650)-593-4020
> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Behalf Of Seth Harris
> Sent: Satur
Sure
pymol -c script-name or python-program-name or pdb-file, etc.
For example:
pymol -qc load.pml movie.pml render.py
"-c" disables the GUI and "-q" suppresses the startup output.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Princi
t work.
Cheers,
Warren
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Voice (650)-346-1154
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> -Original Message-
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourc
Martin,
hide
show ribbon
set ribbon_sampling,1
And if your model only contains CA atoms, you'll also need to issue:
set ribbon_trace,1
Cheers,
Warren
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Fax (650
4)
Cheers,
Warren
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Voice (650)-346-1154
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-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Be
See the manual page for details:
http://pymol.sourceforge.net/newman/user/S0200start.html#5_4_3
Cheers,
Warren
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-Original Message-
From: Thomas Earnest [mai
Rotating by a small angle is the best it can currently do unless
you send the geometries to an outside rendering package, such as PovRay.
Warren
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Warren L. DeLano, Ph.D.
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PyMOL, and then assemble them outside of
PyMOL. We'll make this foolproof in a future version.
Cheers,
Dr. PyMOL
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Warren L. DeLano, Ph.D.
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-Original Message-
From: o
t as another
reasonable way that we might get to a reasonable state of documentation
for PyMOL -- in fact I'd prefer it. But if that doesn't happen, then
we'll eventually get there anyway via economic incentives and my own
stubborn efforts.
Cheers,
Warren
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this release...perhaps in the
next version -- I'll need to in order to make cartoons transparent,
which is a planned enhancement. For now, you're probably out of luck,
unless you call OpenGL Directly via PyOpenGL.
Cheers,
Warren
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Warren L. D
it
through your sponsorship. Let's continue to work together in a global
partnership to help PyMOL reach its full potential! Please buy a
license and maintenance subscription if you can afford to do so.
Cheers,
Warren
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Warren L. DeLano
Principal Scientist
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Voice (650)-346-1154
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#x27;re presenting off of your laptop
and not sending files over the internet. For files posted on the
internet, JP's comments are right on the money -- "late model" codecs
are a must.
Cheers,
Warren
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Warren L. DeLano
Principal Scientist
DeLano
dation is to do exactly what Scott suggests --
drop labels in afterwards using PowerPoint, Illustrator, or Photoshop.
Cheers,
Warren
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Warren L. DeLano
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-Original Message-
Fr
...
show sticks
set stick_radius, 0.1
etc.
Cheers,
Warren
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Warren L. DeLano
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ow...@lists.sourceforge.net
[mailto:pymol-users-ow
r...@delanoscientific.com
Warren L. DeLano
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-----
From: Warren L. DeLano [mailto:war...@delanoscientific.com]
Sent: Tuesday, May 27, 2003 1:17 PM
To: 'Warren L. DeLano'; 'Björn Kau
Jason,
The "mpng" command in recent versions of PyMOL takes two
arguments, first and last, which control which frames are rendered. You
can have your script set these appropriately based on where the job is
running.
Cheers,
Warren
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Warren
users-ad...@lists.sourceforge.net] On Behalf Of Warren L.
DeLano
Sent: Tuesday, May 27, 2003 9:19 AM
To: 'Björn Kauppi'; pymol-users@lists.sourceforge.net
Subject: RE: [PyMOL] plane2colour
Bjorn,
Good news, I just recently added opaque, colored, "insides" of cartoons,
sur
Bjorn,
Good news, I just recently added opaque, colored, "insides" of cartoons,
surfaces, and spheres to the upcoming release.
In version 0.88 and beyond, "set interior_color, color-name" will
achieve this effect.
Cheers,
Warren
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...@delanoscientific.com
Warren L. DeLano
Principal
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Cameron
Mura
Sent: Wednesday, May 21, 2003 12:50
olor("red",a[1])
# now show interior...
clip slab,10
# end of script
Cheers,
Warren
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Warren L. DeLano
Principal
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Voice (650)-346-1154
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-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:p
en done. Sorry.
Cheers,
Warren
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Warren L. DeLano
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-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Mahesh
Yibin,
show sticks, (not name c,n,o)
show cartoon
set cartoon_smooth_loops, 0
and perhaps
set cartoon_flat_sheets, 0
Cheers,
Warren
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t;%c + a[11:]
c = c + 1
ll.append(a)
g=open("reorder.pdb","w")
g.write(string.join(ll,''))
g.close()
Cheers,
Warren
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Warren L. DeLano
Principal
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Origin
).
I hope this helps!
Cheers,
Warren
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Warren L. DeLano
Principal
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Beha
should be possible to create the appearance of a single object.
Hope this helps!
Cheers,
Warren
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Warren L. DeLano
Principal
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Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
...@delanoscientific.com
Warren L. DeLano
Principal
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Florian
Schmitzberger
Sent: Tuesday, May 13, 2003 1:42 AM
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Warren L. DeLano, Ph.D.
Principal
DeLano Scientific LLC
Voice (650)-346-1154
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-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of David A.
Horita
Sent: Thursday, May
Florian,
There's two "b" s in dumbbell.
cartoon_dumbbell_length
etc.
Warren
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Warren L. DeLano, Ph.D.
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DeLano Scientific LLC
Voice (650)-346-1154
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-Original Message-
From:
utton.
Cheers,
Warren
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Warren L. DeLano, Ph.D.
Principal
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Ra
Molecular (a discrete approximation to the Connolly surface).
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Warren L. DeLano, Ph.D.
Principal
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
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From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad
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